SCHEMBL786050

SCHEMBL786050

CSc1ncc2c(n1)CCN(C(=O)O)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.45
PDGFRB P09619 5/20 0.43
HSP90AA1 P07900 5/20 0.42
HSP90AB1 P08238 2/20 0.42
ENPP2 Q13822 1/20 0.42
MAPT P10636 1/20 0.41
HSP90B1 P14625 1/20 0.41
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FYN P06241 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30675356 0.89 MAPK1 (0.41) KDRCCNA2CDK2MEN1KMT2A
SCHEMBL1503877 0.87 MEN1 (0.42) KDRPDGFRBHSP90AA1HSP90B1CCNA2
SCHEMBL785706 0.82 MAPT (0.63) KDRPDGFRBHSP90AA1HSP90AB1ENPP2
SCHEMBL19553456 0.78 FGFR4 (0.46) CCNA2CDK2MEN1KMT2A
SCHEMBL23501691 0.78 HSP90AB1 (0.59) KDRPDGFRBHSP90AB1MEN1KMT2A
SCHEMBL28518471 0.78 HSP90AA1 (0.47) KDRPDGFRBHSP90AA1HSP90AB1ENPP2
SCHEMBL31340129 0.78 HSP90AA1 (0.47) KDRPDGFRBHSP90AA1HSP90AB1ENPP2
SCHEMBL14496907 0.78 CYP2C9 (0.43) KDRPDGFRBCCNA2CDK2
SCHEMBL21326642 0.78 HSP90AA1 (0.59) KDRPDGFRBHSP90AA1HSP90AB1MAPT
SCHEMBL785547 0.78 HSP90AA1 (0.59) PDGFRBHSP90AA1HSP90AB1ENPP2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KDR 689/4885PDGFRB 136/4885HSP90AA1 2767/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.